SCHEMBL6501426

SCHEMBL6501426

COc1ccc(/C=C(/OC(C)C)C(=O)O)cc1C(=O)NCc1ccc(C(F)(F)F)cc1

nearest known ligand 0.73

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 3/20 0.73
PSEN2 P49810 3/20 0.73
APH1B Q8WW43 3/20 0.73
NCSTN Q92542 3/20 0.73
APH1A Q96BI3 3/20 0.73
PSENEN Q9NZ42 3/20 0.73
PPARA Q07869 19/20 0.64
PPARD Q03181 8/20 0.64
PPARG P37231 7/20 0.59

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6501430 1.00 PSEN1 (0.73) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6501421 1.00 PSEN1 (0.73) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6383495 0.87 PSEN1 (0.80) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6380278 0.83 PSEN1 (0.74) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL5974242 0.83 PSEN1 (0.73) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6376141 0.82 PSEN1 (0.72) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6376145 0.82 PSEN1 (0.72) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6380273 0.78 PPARA (0.84) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL5974323 0.78 PPARA (0.72) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL5974097 0.78 PPARA (0.80) PSEN1PSEN2APH1BNCSTNAPH1A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6884821-B1 Carboxylic acid derivatives and drugs containing the same EISAI CO., LTD. (JP) 2005-04-26 US disclosed
EP-1216980-A1 CARBOXYLIC ACID DERIVATIVES AND DRUGS CONTAINING THE SAME Eisai Co., Ltd. (JP) 2002-06-26 EP disclosed